SCHEMBL19789990

SCHEMBL19789990

Bc1ccc(C#Cc2ccc(C#Cc3ccc(B)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.47
MAPT P10636 1/20 0.39
KCNH2 Q12809 5/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
FFAR1 O14842 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22225396 0.88 APP (0.67) APPMAPTKCNH2KDM4EMEN1
SCHEMBL19789977 0.88 APP (0.67) APPMAPTKCNH2KDM4EMEN1
SCHEMBL12246439 0.86 KCNH2 (0.54) APPMAPTKCNH2MEN1ALDH1A1
SCHEMBL10064152 0.76
SCHEMBL19789991 0.75 KCNH2 (0.36) APPKCNH2GRM5CA12CA1
SCHEMBL19790003 0.75 FFAR1 (0.40) KCNH2GRM5CA12CA2CA9
SCHEMBL19790042 0.75 FFAR1 (0.40) GRM5CA12CA1CA2CA9
SCHEMBL21474164 0.74 FFAR1 (0.47) APPKCNH2GRM5FFAR1
SCHEMBL13390791 0.73
SCHEMBL14374250 0.73 HSD17B10 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794816-B1 LIQUID CRYSTAL MEDIUM AND HIGH FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed